REMARK  Name = LIG001894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.095   0.592   0.917  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.567   1.874   1.027  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.146   2.909   1.290  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.127   1.768   0.774  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.812   0.423   0.626  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.506   0.029   0.379  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.484   1.015   0.276  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.139   2.377   0.433  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.179   2.767   0.687  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.035  -0.411   0.808  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.150  -1.417  -2.062  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.759  -0.887  -1.026  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.439  -1.643   0.072  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.556  -2.642  -0.036  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.773  -1.237   1.204  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.337  -2.072   1.996  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.465   0.264   1.326  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.531   1.041   0.544  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.544   0.602  -0.912  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -1.836   0.730   0.024  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1       -2.486   1.512  -0.030  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -2.433  -0.502  -0.171  0.00  0.00    +0.267 C 
ATOM     23  O   LIG    1       -1.887  -1.599  -0.161  0.00  0.00    -0.268 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.911  -0.397  -0.416  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1       -4.426   0.866  -0.411  0.00  0.00    -0.250 NA
ATOM     26  C   LIG    1       -5.757   0.964  -0.633  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -6.609  -0.121  -0.860  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.037  -1.411  -0.857  0.00  0.00    -0.014 A 
ATOM     29  C   LIG    1       -6.861  -2.525  -1.081  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -8.229  -2.364  -1.305  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.792  -1.090  -1.308  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.988   0.028  -1.086  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -4.663  -1.545  -0.631  0.00  0.00    +0.041 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3